Structure Information
Structure

Compound Identification

SMILES

C[C@H]1C[C@H](C)[C@H](O)C(C1)C1CC(CC(=O)NCC2=CC=CC=C2)CC(=O)O1

InChIKey

InChIKey=IVTAHNQJAAUGMY-PBWZBZJBSA-N

Formula

C22H31NO4

Mass

373.493

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Lactones

Subclass

Delta valerolactones

Intermediate Tree Nodes

Not available

Direct Parent

Delta valerolactones

Alternative Parents

Cyclohexanols Oxanes Benzene and substituted derivatives Secondary carboxylic acid amides Cyclic alcohols and derivatives Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Cyclohexanol - Delta valerolactone - Delta_valerolactone - Monocyclic benzene moiety - Benzenoid - Oxane - Cyclic alcohol - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Secondary alcohol - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Alcohol - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Organonitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as delta valerolactones. These are cyclic organic compounds containing an oxan-2- one moiety.

External Descriptors

Not available

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